Electrostatic forces and the structural stability of a modelled bacteriophage T4 glutaredoxin fold : molecular dynamics simulations of polyglycine 87-mers
Identifieur interne : 004848 ( Main/Exploration ); précédent : 004847; suivant : 004849Electrostatic forces and the structural stability of a modelled bacteriophage T4 glutaredoxin fold : molecular dynamics simulations of polyglycine 87-mers
Auteurs : O. Nilsson [Suède] ; O. TapiaSource :
- Journal of molecular structure. Theochem [ 0166-1280 ] ; 1992.
Descripteurs français
- Pascal (Inist)
English descriptors
Abstract
A homopolymer molecular dynamics (MD) simulation model, representing protein folds, is tested with bacteriophage T4 glutaredoxin (T4-glx). The GROMOS force field is employed; four 100 ps simulations with modulated electrostatic forces are used to sense intrinsic structural stability of the fold. One simulation represents a standard protein force field. A second simulation has increased electrostatic interactions. Results show that the global relative arrangement of secondary structural elements is retained throughout the trajectory albeit with some local deformation
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Le document en format XML
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